4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine

C18H15N5O — CID 19152669

IUPAC4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(-n3cnc4ccccc43)c2N)cc1
InChIInChI=1S/C18H15N5O/c1-12-6-8-13(9-7-12)24-18-16(19)17(20-10-21-18)23-11-22-14-4-2-3-5-15(14)23/h2-11H,19H2,1H3
InChIKeyKDYJAOQYFTTZAM-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.50
Rot. Bonds3

About 4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine

4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine (PubChem CID 19152669) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine
PubChem CID19152669
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(-n3cnc4ccccc43)c2N)cc1
InChIInChI=1S/C18H15N5O/c1-12-6-8-13(9-7-12)24-18-16(19)17(20-10-21-18)23-11-22-14-4-2-3-5-15(14)23/h2-11H,19H2,1H3
InChIKeyKDYJAOQYFTTZAM-UHFFFAOYSA-N
XLogP3.50
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138635
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137368
4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152632
6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149292
6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
CID 19135352
4-(benzotriazol-1-yl)-6-(4-bromophenoxy)pyrimidin-5-amine
CID 19154403
4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 22539877
6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine
CID 19136313
4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138691
4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
CID 19138513
6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 19147718
4-(benzimidazol-1-yl)quinazolin-7-amine
CID 65336608

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine (CID 19152669) is 4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine is Cc1ccc(Oc2ncnc(-n3cnc4ccccc43)c2N)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine?
The InChIKey is KDYJAOQYFTTZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12-6-8-13(9-7-12)24-18-16(19)17(20-10-21-18)23-11-22-14-4-2-3-5-15(14)23/h2-11H,19H2,1H3.
What are the key properties of 4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine?
4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine has a molecular weight of 317.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 19152669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).